methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate

C11H22N2O3 — CID 43116573

IUPACmethyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
SMILESCCC(CC)NC(=O)C(C)NCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-9(6-2)13-11(15)8(3)12-7-10(14)16-4/h8-9,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyJRLNJTGJEJLBOI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds7

About methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate

methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate (PubChem CID 43116573) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
PubChem CID43116573
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
SMILESCCC(CC)NC(=O)C(C)NCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-9(6-2)13-11(15)8(3)12-7-10(14)16-4/h8-9,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyJRLNJTGJEJLBOI-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
2-[(2-methoxy-2-methylpropyl)amino]-N-pentan-3-ylpropanamide
CID 115664073
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
2-(ethoxyamino)-N-pentan-3-ylpropanamide
CID 60721530
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 64667124
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate (CID 43116573) is methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate is CCC(CC)NC(=O)C(C)NCC(=O)OC.
What is the InChIKey of methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate?
The InChIKey is JRLNJTGJEJLBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-9(6-2)13-11(15)8(3)12-7-10(14)16-4/h8-9,12H,5-7H2,1-4H3,(H,13,15).
What are the key properties of methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate?
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 43116573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).